(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol

C12H21N3O2 — CID 94176327

IUPAC(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCC[C@H]1CN(C[C@H](O)Cn2cccn2)CCO1
InChIInChI=1S/C12H21N3O2/c1-2-12-10-14(6-7-17-12)8-11(16)9-15-5-3-4-13-15/h3-5,11-12,16H,2,6-10H2,1H3/t11-,12-/m0/s1
InChIKeyKWSLSMAFGUXXMV-RYUDHWBXSA-N
MW239.32 g/mol
LogP0.35
Rot. Bonds5

About (2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 94176327) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID94176327
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCC[C@H]1CN(C[C@H](O)Cn2cccn2)CCO1
InChIInChI=1S/C12H21N3O2/c1-2-12-10-14(6-7-17-12)8-11(16)9-15-5-3-4-13-15/h3-5,11-12,16H,2,6-10H2,1H3/t11-,12-/m0/s1
InChIKeyKWSLSMAFGUXXMV-RYUDHWBXSA-N
XLogP0.35
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100842326
(2S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95276399
1-[(4-ethylmorpholin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 115626302
1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol
CID 127614779
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843595
(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124787969
1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 167976553
(2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95979171
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 95288616
(1R)-1-(3,4-dimethylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841952

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol (CID 94176327) is (2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol is CC[C@H]1CN(C[C@H](O)Cn2cccn2)CCO1.
What is the InChIKey of (2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is KWSLSMAFGUXXMV-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-12-10-14(6-7-17-12)8-11(16)9-15-5-3-4-13-15/h3-5,11-12,16H,2,6-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 94176327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).